2-[1-(2-methylpropyl)indol-5-yl]acetic acid

C14H17NO2 — CID 115106854

IUPAC2-[1-(2-methylpropyl)indol-5-yl]acetic acid
SMILESCC(C)Cn1ccc2cc(CC(=O)O)ccc21
InChIInChI=1S/C14H17NO2/c1-10(2)9-15-6-5-12-7-11(8-14(16)17)3-4-13(12)15/h3-7,10H,8-9H2,1-2H3,(H,16,17)
InChIKeyZFCIEWJZXCGIBF-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.92
Rot. Bonds4

About 2-[1-(2-methylpropyl)indol-5-yl]acetic acid

2-[1-(2-methylpropyl)indol-5-yl]acetic acid (PubChem CID 115106854) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-[1-(2-methylpropyl)indol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-methylpropyl)indol-5-yl]acetic acid
PubChem CID115106854
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name2-[1-(2-methylpropyl)indol-5-yl]acetic acid
SMILESCC(C)Cn1ccc2cc(CC(=O)O)ccc21
InChIInChI=1S/C14H17NO2/c1-10(2)9-15-6-5-12-7-11(8-14(16)17)3-4-13(12)15/h3-7,10H,8-9H2,1-2H3,(H,16,17)
InChIKeyZFCIEWJZXCGIBF-UHFFFAOYSA-N
XLogP2.92
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-benzylindol-5-yl)acetic acid
CID 71441824
3-[1-(2-methylpropyl)indol-6-yl]propanoic acid
CID 115106738
3-[5-(hydroxymethyl)indol-1-yl]-2-methylpropan-1-ol
CID 102912449
5-fluoro-1-(2-methylpropyl)indole-6-carboxylic acid
CID 171845746
N,N-dimethyl-1-(2-methylpropyl)indol-5-amine
CID 140929126
[1-(2-methylpropyl)indol-6-yl]methanol
CID 102913005
2-(1-methylindol-6-yl)acetic acid
CID 77230193
2-[1-(2-methylpropyl)-2-(trifluoromethyl)benzimidazol-5-yl]acetic acid
CID 82142132
N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide
CID 52865791
N-(2-hydroxypropyl)-N'-[1-(2-methylpropyl)indol-5-yl]oxamide
CID 111435467
2-[2-butyl-1-(2-methylpropyl)benzimidazol-5-yl]acetic acid
CID 82142121
N-[[1-(2-methylpropyl)indol-5-yl]methyl]oxan-4-amine
CID 175826876

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylpropyl)indol-5-yl]acetic acid?
The IUPAC name of 2-[1-(2-methylpropyl)indol-5-yl]acetic acid (CID 115106854) is 2-[1-(2-methylpropyl)indol-5-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-methylpropyl)indol-5-yl]acetic acid?
The canonical SMILES for 2-[1-(2-methylpropyl)indol-5-yl]acetic acid is CC(C)Cn1ccc2cc(CC(=O)O)ccc21.
What is the InChIKey of 2-[1-(2-methylpropyl)indol-5-yl]acetic acid?
The InChIKey is ZFCIEWJZXCGIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-10(2)9-15-6-5-12-7-11(8-14(16)17)3-4-13(12)15/h3-7,10H,8-9H2,1-2H3,(H,16,17).
What are the key properties of 2-[1-(2-methylpropyl)indol-5-yl]acetic acid?
2-[1-(2-methylpropyl)indol-5-yl]acetic acid has a molecular weight of 231.29 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylpropyl)indol-5-yl]acetic acid is sourced from PubChem (CID 115106854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).